7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one

C10H10BrN3O — CID 4677520

IUPAC7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)c1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C10H10BrN3O/c1-13(2)9-5-10(15)14-6-7(11)3-4-8(14)12-9/h3-6H,1-2H3
InChIKeyMPRSAGZTCJVWNY-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.52
Rot. Bonds1

About 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 4677520) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID4677520
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)c1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C10H10BrN3O/c1-13(2)9-5-10(15)14-6-7(11)3-4-8(14)12-9/h3-6H,1-2H3
InChIKeyMPRSAGZTCJVWNY-UHFFFAOYSA-N
XLogP1.52
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one (CID 4677520) is 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one is CN(C)c1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MPRSAGZTCJVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-13(2)9-5-10(15)14-6-7(11)3-4-8(14)12-9/h3-6H,1-2H3.
What are the key properties of 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 268.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(dimethylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4677520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).